benzyl N-[1-[3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamate

C20H24N4O3 — CID 134791370

IUPACbenzyl N-[1-[3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamate
SMILESCOCCCn1c(C(C)NC(=O)OCc2ccccc2)nc2cccnc21
InChIInChI=1S/C20H24N4O3/c1-15(22-20(25)27-14-16-8-4-3-5-9-16)18-23-17-10-6-11-21-19(17)24(18)12-7-13-26-2/h3-6,8-11,15H,7,12-14H2,1-2H3,(H,22,25)
InChIKeyOXPOGAGNPTVBHZ-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.46
Rot. Bonds8

About benzyl N-[1-[3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamate

benzyl N-[1-[3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamate (PubChem CID 134791370) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is benzyl N-[1-[3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamate
PubChem CID134791370
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Namebenzyl N-[1-[3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamate
SMILESCOCCCn1c(C(C)NC(=O)OCc2ccccc2)nc2cccnc21
InChIInChI=1S/C20H24N4O3/c1-15(22-20(25)27-14-16-8-4-3-5-9-16)18-23-17-10-6-11-21-19(17)24(18)12-7-13-26-2/h3-6,8-11,15H,7,12-14H2,1-2H3,(H,22,25)
InChIKeyOXPOGAGNPTVBHZ-UHFFFAOYSA-N
XLogP3.46
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[1-[3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamate (CID 134791370) is benzyl N-[1-[3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[1-[3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[1-[3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamate is COCCCn1c(C(C)NC(=O)OCc2ccccc2)nc2cccnc21.
What is the InChIKey of benzyl N-[1-[3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamate?
The InChIKey is OXPOGAGNPTVBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-15(22-20(25)27-14-16-8-4-3-5-9-16)18-23-17-10-6-11-21-19(17)24(18)12-7-13-26-2/h3-6,8-11,15H,7,12-14H2,1-2H3,(H,22,25).
What are the key properties of benzyl N-[1-[3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamate?
benzyl N-[1-[3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamate has a molecular weight of 368.44 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamate is sourced from PubChem (CID 134791370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).